Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.3573902
Title: Zeolitic imidazolate framework-8 as a reverse osmosis membrane for water desalination: Insight from molecular simulation
Authors: Hu, Z.
Chen, Y.
Jiang, J. 
Issue Date: 7-Apr-2011
Citation: Hu, Z., Chen, Y., Jiang, J. (2011-04-07). Zeolitic imidazolate framework-8 as a reverse osmosis membrane for water desalination: Insight from molecular simulation. Journal of Chemical Physics 134 (13) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.3573902
Abstract: A molecular simulation study is reported for water desalination in zeolitic imidazolate framework-8 (ZIF-8) membrane. The simulation demonstrates that water desalination occurs under external pressure, and Na+ and Cl- ions cannot transport across the membrane due to the sieving effect of small apertures in ZIF-8. The flux of water permeating the membrane scales linearly with the external pressure, and exhibits an Arrhenius-type relation with temperature (activation energy of 24.4 kJmol). Compared with bulk phase, water molecules in ZIF-8 membrane are less hydrogen-bonded and the lifetime of hydrogen-bonding is considerably longer, as attributed to the surface interactions and geometrical confinement. This simulation study suggests that ZIF-8 might be potentially used as a reverse osmosis membrane for water purification. © 2011 American Institute of Physics.
Source Title: Journal of Chemical Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/90505
ISSN: 00219606
DOI: 10.1063/1.3573902
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